quinolin-8-ylmethyl (2S)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylate

Systemtic Name: quinolin-8-ylmethyl (2S)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylate Openeye Name: 8-quinolylmethyl (2S)-1-(p-tolylsulfonyl)pyrrolidine-2-carboxylate CAS Name: (2S)-1-(4-methylphenyl)sulfonyl-2-pyrrolidinecarboxylic acid 8-quinolinylmethyl ester IUPAC Name: quinolin-8-ylmethyl (2S)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylate Traditional Name: (2S)-1-tosylpyrrolidine-2-carboxylic acid 8-quinolylmethyl ester Formula: C22H22N2O4S MolecularWeight: 410.48608

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)OCC3=CC=CC4=C3N=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC[C@H]2C(=O)OCC3=CC=CC4=C3N=CC=C4

InChI

InChI=1S/C22H22N2O4S/c1-16-9-11-19(12-10-16)29(26,27)24-14-4-8-20(24)22(25)28-15-18-6-2-5-17-7-3-13-23-21(17)18/h2-3,5-7,9-13,20H,4,8,14-15H2,1H3/t20-/m0/s1